N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H20N4OS — CID 25398784

IUPACN-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4OS/c1-4-25-20-16(12-22-25)15(11-18(23-20)19-6-5-9-27-19)21(26)24-17-10-13(2)7-8-14(17)3/h5-12H,4H2,1-3H3,(H,24,26)
InChIKeyCILXETGHUIVIER-UHFFFAOYSA-N
MW376.49 g/mol
LogP5.05
Rot. Bonds4

About N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25398784) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25398784
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC NameN-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3cccs3)nc21
InChIInChI=1S/C21H20N4OS/c1-4-25-20-16(12-22-25)15(11-18(23-20)19-6-5-9-27-19)21(26)24-17-10-13(2)7-8-14(17)3/h5-12H,4H2,1-3H3,(H,24,26)
InChIKeyCILXETGHUIVIER-UHFFFAOYSA-N
XLogP5.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24592615
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
methyl 3-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]thiophene-2-carboxylate
CID 30175101
1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24593141
1-ethyl-N-(2-methylbutan-2-yl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46546226
1-ethyl-6-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18273145
N-(4-acetamido-3-chlorophenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 41305570
N-(2,4-dimethylphenyl)-1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44823079
N-[3-(diethylcarbamoyl)phenyl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 24595929
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 39023559
(2S)-2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 166227451
1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 166184572

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 25398784) is N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)Nc3cc(C)ccc3C)cc(-c3cccs3)nc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is CILXETGHUIVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-4-25-20-16(12-22-25)15(11-18(23-20)19-6-5-9-27-19)21(26)24-17-10-13(2)7-8-14(17)3/h5-12H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25398784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).